4-(methylsulfanylmethyl)benzoic acid
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4-(methylsulfanylmethyl)benzoic acid
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CAS No:
67003-48-9
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Formula:
C9H10O2S
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Chemical Name:
4-(methylsulfanylmethyl)benzoic acid
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Synonyms:
p-HO2CBnSMe;
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CAS No:
4-(methylsulfanylmethyl)benzoic acid Basic Attributes
182.23900
182.04015073
DTXSID30368903
2930909090
Computed Properties
Molecular Weight:182.24
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.04015073
Monoisotopic Mass:182.04015073
Topological Polar Surface Area:62.6
Heavy Atom Count:12
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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